Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MESLQKTSDAGQMFDVVVIGGGISGLSAAKLLAEHEVNVLVLEARERVGGRTYTVRNEHVDYVDVGGAYVGPTQNRILRLSKQLGLETYKVNVNERLVHYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTMDNMGKEIPADAPWEAPHAVEWDKMTMKDLIEKICWTKTARQFASLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSITNGGQERKFVGGSGQVSERIMQLLGDRVKLRSPVTYVDQSSENITVETLNRELYECRYVISAIPPTLTAKIHFRPELPSERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEEAPISITLDDTKPDGSLPAIMGFILARKADRLAKVHKDIRKRKICELYAKVLGSQEALHPVHYEEKNWCQEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIYFAGTETATQWSGYMEGAVEAGERAAREVLNALGKLSAKDIWIQEPEAEDVPAVEITPSFWERNLPSVSGLLKIVGFSTSITALWFVMYRFRLLSRS |
2BXS Chain:B ((12-506)) | -----------HMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHVDYVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRG-----WNPIAYLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELIDKICWTKTARRFAYLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMDLLGDQVKLNHPVTHVDQSSDNIIIETLNHEHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADRLAKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLNGLGKVTEKDIWVQEPESKDVPAVEITHTFWERNLPSVSGLLKIIG--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BXS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -308544 for 4439 contacts (-69.5/contact) +
2D Compatibility (PS) -52187 + (NN) -16820 + (LL) 2964
1D Compatibility (HY) -69600 + (ID) 21950
Total energy: -466137.0 ( -105.01 by residue)
QMean score : 0.417
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